N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride

C20H21ClN2O3 — CID 2790768

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccc4c(c3)OCCO4)c2c1.Cl
InChIInChI=1S/C20H20N2O3.ClH/c1-3-23-15-5-6-17-16(12-15)18(10-13(2)21-17)22-14-4-7-19-20(11-14)25-9-8-24-19;/h4-7,10-12H,3,8-9H2,1-2H3,(H,21,22);1H
InChIKeySIVUXSHMSUSUEV-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.88
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride (PubChem CID 2790768) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride
PubChem CID2790768
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccc4c(c3)OCCO4)c2c1.Cl
InChIInChI=1S/C20H20N2O3.ClH/c1-3-23-15-5-6-17-16(12-15)18(10-13(2)21-17)22-14-4-7-19-20(11-14)25-9-8-24-19;/h4-7,10-12H,3,8-9H2,1-2H3,(H,21,22);1H
InChIKeySIVUXSHMSUSUEV-UHFFFAOYSA-N
XLogP4.88
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride (CID 2790768) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride is CCOc1ccc2nc(C)cc(Nc3ccc4c(c3)OCCO4)c2c1.Cl.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride?
The InChIKey is SIVUXSHMSUSUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3.ClH/c1-3-23-15-5-6-17-16(12-15)18(10-13(2)21-17)22-14-4-7-19-20(11-14)25-9-8-24-19;/h4-7,10-12H,3,8-9H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride has a molecular weight of 372.85 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 2790768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).